Information card for entry 7213772

Structure parameters

• Formula: C40 H37 Cu Mo12 N8 O41 Si
• Calculated formula: C40 H32 Cu Mo12 N8 O41 Si
• SMILES: [Mo]1234([O]56[Mo]78(O[Mo]9%10%11(=O)O[Mo]%12%13%14(O[Mo]%15%16%17(O[Mo]%18%19(=O)(O1)O[Mo]1%20(O[Mo](O[Mo]5(=O)(O2)(O8)O%20)(O%13)([O]9%14[Si]6([O]25[Mo]6(O[Mo]5(=O)(O%12)(O%16)O[Mo]2(=O)(O7)(O%10)O6)(O3)(=O)O%19)[O]%15%181)(O%11)=O)(=O)O%17)=O)=O)(=O)O4)=O.[Cu]1([n]2c(c3[n]1cccc3)cccc2)([n]1ccc(c2ccncc2)cc1)[n]1ccc(c2ccncc2)cc1.c1(c2ccncc2)ccncc1.O
• Title of publication: The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes
• Authors of publication: Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 430
• a: 12.208 ± 0.002 Å
• b: 22.96 ± 0.005 Å
• c: 12.372 ± 0.003 Å
• α: 90°
• β: 113.85 ± 0.03°
• γ: 90°
• Cell volume: 3171.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No